tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate

C15H25NO3 — CID 176829864

IUPACtert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C15H25NO3/c1-6-7-15(11-17)8-9-16(10-12(15)2)13(18)19-14(3,4)5/h6,11-12H,1,7-10H2,2-5H3
InChIKeyAHGLWYCSKBHJJE-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.02
Rot. Bonds3

About tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate

tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate (PubChem CID 176829864) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate
PubChem CID176829864
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C15H25NO3/c1-6-7-15(11-17)8-9-16(10-12(15)2)13(18)19-14(3,4)5/h6,11-12H,1,7-10H2,2-5H3
InChIKeyAHGLWYCSKBHJJE-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3S,4R)-4-hydroxy-3,4-dimethylazepane-1-carboxylate
CID 124523450
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86314284
tert-butyl 2,2-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 25155771
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 9-amino-5-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893864
tert-butyl 4-amino-4-cyano-3-methylpiperidine-1-carboxylate
CID 130590170
tert-butyl 4-[(E)-2-methoxyethenyl]-4-prop-2-enylazepane-1-carboxylate
CID 176829815
tert-butyl 3-prop-2-enoxypyrrolidine-1-carboxylate;ethane
CID 145330639
tert-butyl (3S)-2-hydroxy-3-methyl-3-prop-2-enylpiperidine-1-carboxylate
CID 155131478
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylpyrrolidine-2-carboxylate
CID 6950456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate (CID 176829864) is tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate is C=CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is AHGLWYCSKBHJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-7-15(11-17)8-9-16(10-12(15)2)13(18)19-14(3,4)5/h6,11-12H,1,7-10H2,2-5H3.
What are the key properties of tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate?
tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyl-3-methyl-4-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 176829864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).